channel3D

Documentation

Building from source

Prerequisites

• CMake
• LAPACK
• MPI (tested with version 3.1)
• FFTW with MPI enabled (tested with version 3.3.10)
• A Fortran compiler: Intel (ifx, ifort) or GNU (gfortran)

Note that FFTW must be built with MPI support; a plain FFTW install is not enough. CMake reports this at configure time as Could NOT find FFTW (missing: DOUBLE_MPI_LIB).

Caltech HPC

module load fftw
module load intel-oneapi-compilers
module load openmpi

or, if you want to use Intel MPI,

module load fftw/3.3.10-oneapi-2023.2.1-7czoymn
module load intel-oneapi-compilers
module load intel-oneapi-mpi

Ubuntu

sudo apt-get install -y gfortran cmake \
    libopenmpi-dev openmpi-bin \
    libfftw3-dev libfftw3-mpi-dev \
    libblas-dev liblapack-dev

macOS

brew install gcc cmake open-mpi fftw

LAPACK comes from the Accelerate framework, so it does not need to be installed. Homebrew's fftw already includes the MPI library, and gcc provides gfortran.

Building with CMake

cmake -B build
cmake --build build

or, similarly,

mkdir build
cd build
cmake ..
make

By default, CMake builds the Release version, which compiles with -O3 and enables interprocedural optimization (-ipo for Intel, -flto for GNU). Alternatively, you can run CMake with -DCMAKE_BUILD_TYPE=Debug to enable backtraces and extra debugging information.

To pick a specific compiler, set FC when configuring, e.g. FC=gfortran cmake -B build.

Running tests

To run the built-in tests, configure CMake to build the test framework:

cmake -B build -DBUILD_TESTING=ON
cmake --build build
ctest --test-dir build

or, similarly,

mkdir build
cd build
cmake .. -DBUILD_TESTING=ON
make
ctest